Monomers
Triallyl citrate
Identifiers
IUPAC name
tris(prop-2-enyl) 2-hydroxypropane-1,2,3-tricarboxylate
InchI
InChI=1S/C15H20O7/c1-4-7-20-12(16)10-15(19,14(18)22-9-6-3)11-13(17)21-8-5-2/h4-6,19H,1-3,7-11H2
InchI Key
PLCFYBDYBCOLSP-UHFFFAOYSA-N
SMILES
C=CCOC(=O)C(CC(=O)OCC=C)(CC(=O)OCC=C)O
Canonical SMILES
C=CCOC(=O)CC(CC(=O)OCC=C)(C(=O)OCC=C)O
Isomeric SMILES
C=CCOC(=O)CC(CC(=O)OCC=C)(C(=O)OCC=C)O
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C15H20O7
Heavy Atom Count
22
Molecular Weight
312.318
Exact Molecular Weight
312.1209
Valence Electrons
122
Radical Electrons
0
tPSA
99.13
MolLogP
0.6853
H Bond Acceptors
7
H Bond Donors
1
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0
MOL File
RDKit 3D
42 41 0 0 0 0 0 0 0 0999 V2000
2.8314 4.3952 -0.5513 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0555 3.6005 -1.2652 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5691 3.7183 -1.0740 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0229 2.5078 -0.6293 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0561 1.3090 -1.2926 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6262 1.2739 -2.4177 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5331 0.0529 -0.7723 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9595 0.3246 -0.4174 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6575 -0.8485 0.1284 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7761 -1.8787 -0.5659 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1759 -0.8095 1.4024 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8550 -1.8380 2.0499 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0985 -2.2560 1.3548 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2709 -2.1695 1.9646 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2229 -0.3364 0.4916 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6529 -0.5343 0.1735 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5658 0.2494 0.5264 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0253 -1.6513 -0.5629 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3794 -1.9280 -0.9124 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1883 -2.1361 0.3208 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2185 -1.3838 0.6216 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4383 -0.9724 -1.6988 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9091 4.3071 -0.6925 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4655 5.1216 0.1611 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4533 2.8896 -1.9678 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1429 4.0561 -2.0396 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3249 4.5041 -0.3362 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4657 0.6926 -1.3617 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9790 1.1988 0.2553 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2038 -2.7395 2.2043 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1589 -1.4343 3.0534 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0648 -2.6407 0.3266 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3655 -1.7977 2.9770 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1761 -2.4739 1.4649 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2642 -1.2208 0.9188 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1754 0.5508 1.1860 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3801 -2.7973 -1.5944 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8044 -1.0506 -1.4761 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9018 -2.9488 0.9843 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5546 -0.5532 -0.0079 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7821 -1.5795 1.5415 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1345 -0.7737 -2.4711 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
2 3 1 0
3 4 1 0
4 5 1 0
5 6 2 0
5 7 1 0
7 8 1 0
8 9 1 0
9 10 2 0
9 11 1 0
11 12 1 0
12 13 1 0
13 14 2 3
7 15 1 0
15 16 1 0
16 17 2 0
16 18 1 0
18 19 1 0
19 20 1 0
20 21 2 3
7 22 1 0
1 23 1 0
1 24 1 0
2 25 1 0
3 26 1 0
3 27 1 0
8 28 1 0
8 29 1 0
12 30 1 0
12 31 1 0
13 32 1 0
14 33 1 0
14 34 1 0
15 35 1 0
15 36 1 0
19 37 1 0
19 38 1 0
20 39 1 0
21 40 1 0
21 41 1 0
22 42 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers